N-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide

C16H23F3N4O — CID 51078611

IUPACN-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N4O/c1-12(2)21-14(24)11-22-7-4-8-23(10-9-22)15-13(16(17,18)19)5-3-6-20-15/h3,5-6,12H,4,7-11H2,1-2H3,(H,21,24)
InChIKeyNUQZCDAAZLHLLK-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.14
Rot. Bonds4

About N-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide

N-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 51078611) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
PubChem CID51078611
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC NameN-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N4O/c1-12(2)21-14(24)11-22-7-4-8-23(10-9-22)15-13(16(17,18)19)5-3-6-20-15/h3,5-6,12H,4,7-11H2,1-2H3,(H,21,24)
InChIKeyNUQZCDAAZLHLLK-UHFFFAOYSA-N
XLogP2.14
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide (CID 51078611) is N-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide is CC(C)NC(=O)CN1CCCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of N-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is NUQZCDAAZLHLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-12(2)21-14(24)11-22-7-4-8-23(10-9-22)15-13(16(17,18)19)5-3-6-20-15/h3,5-6,12H,4,7-11H2,1-2H3,(H,21,24).
What are the key properties of N-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide?
N-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 344.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 51078611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).